GitHub - camm/vizmdend: AMBER mdend file inspector

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AMBER mdend file inspector

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Name		Name	Last commit message	Last commit date
Latest commit History 16 Commits
vizmdend		vizmdend
.gitignore		.gitignore
CHANGES.txt		CHANGES.txt
LICENSE		LICENSE
LICENSE.txt		LICENSE.txt
MANIFEST.in		MANIFEST.in
README.txt		README.txt
setup.py		setup.py

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===========
vizmdend
===========

vizmdend is an AMBER Molecular Dynamics mdend file Inspector.

A Command-line
===============

usage: vizmdend.py [-h] [--xfield XFIELD] mdendfile yfield

Plot a field from mdend AMBER file

positional arguments:
  mdendfile        mdend file name
  yfield           name of the field to plot

optional arguments:
  -h, --help       show this help message and exit
  --xfield XFIELD  optional field to be used as x-axis

B Graphical Interface
=====================

usage: vizmdend.pyw [-h] [--mdendfile MDENDFILE]

Plot a field from mdend AMBER file

optional arguments:
  -h, --help            show this help message and exit
  --mdendfile MDENDFILE
                        mdend file name